2-bromo-N-[furan-2-yl(phenyl)methyl]furan-3-carboxamide

C16H12BrNO3 — CID 106853210

IUPAC2-bromo-N-[furan-2-yl(phenyl)methyl]furan-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccco1)c1ccoc1Br
InChIInChI=1S/C16H12BrNO3/c17-15-12(8-10-21-15)16(19)18-14(13-7-4-9-20-13)11-5-2-1-3-6-11/h1-10,14H,(H,18,19)
InChIKeyLCQJQEZMDPUVRE-UHFFFAOYSA-N
MW346.18 g/mol
LogP4.15
Rot. Bonds4

About 2-bromo-N-[furan-2-yl(phenyl)methyl]furan-3-carboxamide

2-bromo-N-[furan-2-yl(phenyl)methyl]furan-3-carboxamide (PubChem CID 106853210) has the molecular formula C16H12BrNO3 and a molecular weight of 346.18 g/mol. Its IUPAC name is 2-bromo-N-[furan-2-yl(phenyl)methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[furan-2-yl(phenyl)methyl]furan-3-carboxamide
PubChem CID106853210
Molecular FormulaC16H12BrNO3
Molecular Weight346.18 g/mol
Exact Mass345.00
IUPAC Name2-bromo-N-[furan-2-yl(phenyl)methyl]furan-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccco1)c1ccoc1Br
InChIInChI=1S/C16H12BrNO3/c17-15-12(8-10-21-15)16(19)18-14(13-7-4-9-20-13)11-5-2-1-3-6-11/h1-10,14H,(H,18,19)
InChIKeyLCQJQEZMDPUVRE-UHFFFAOYSA-N
XLogP4.15
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-furan-2-yl(phenyl)methyl]-3,5-dimethylbenzamide
CID 8928204
3,5-difluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928311
[furan-2-yl(phenyl)methyl]urea
CID 14906081
N-[(S)-furan-2-yl(phenyl)methyl]-4-(trifluoromethyl)benzamide
CID 8928135
2,6-difluoro-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134028235
3-fluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928171
4-(dimethylamino)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134029302
N-[furan-2-yl(phenyl)methyl]-2,5-dimethoxybenzamide
CID 51217853
3-(benzenesulfonamido)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 55454696
N-[(R)-furan-2-yl(phenyl)methyl]-3-nitrobenzamide
CID 8928120
N-[(S)-furan-2-yl(phenyl)methyl]-3-nitrobenzamide
CID 8928119
4-(acetamidomethyl)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134029454

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[furan-2-yl(phenyl)methyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[furan-2-yl(phenyl)methyl]furan-3-carboxamide (CID 106853210) is 2-bromo-N-[furan-2-yl(phenyl)methyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[furan-2-yl(phenyl)methyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[furan-2-yl(phenyl)methyl]furan-3-carboxamide is O=C(NC(c1ccccc1)c1ccco1)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-[furan-2-yl(phenyl)methyl]furan-3-carboxamide?
The InChIKey is LCQJQEZMDPUVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO3/c17-15-12(8-10-21-15)16(19)18-14(13-7-4-9-20-13)11-5-2-1-3-6-11/h1-10,14H,(H,18,19).
What are the key properties of 2-bromo-N-[furan-2-yl(phenyl)methyl]furan-3-carboxamide?
2-bromo-N-[furan-2-yl(phenyl)methyl]furan-3-carboxamide has a molecular weight of 346.18 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[furan-2-yl(phenyl)methyl]furan-3-carboxamide is sourced from PubChem (CID 106853210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).